N-ethyl-6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-N-propyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C23H32N6 — CID 11223091

IUPACN-ethyl-6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-N-propyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCCN(CC)c1ncnc2[nH]c(-c3ccc(CN4CCN(C)CC4)cc3)cc12
InChIInChI=1S/C23H32N6/c1-4-10-29(5-2)23-20-15-21(26-22(20)24-17-25-23)19-8-6-18(7-9-19)16-28-13-11-27(3)12-14-28/h6-9,15,17H,4-5,10-14,16H2,1-3H3,(H,24,25,26)
InChIKeyDOYSDXUVIVEKBQ-UHFFFAOYSA-N
MW392.55 g/mol
LogP3.61
Rot. Bonds7

About N-ethyl-6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-N-propyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-ethyl-6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-N-propyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 11223091) has the molecular formula C23H32N6 and a molecular weight of 392.55 g/mol. Its IUPAC name is N-ethyl-6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-N-propyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-N-propyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID11223091
Molecular FormulaC23H32N6
Molecular Weight392.55 g/mol
Exact Mass392.27
IUPAC NameN-ethyl-6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-N-propyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCCN(CC)c1ncnc2[nH]c(-c3ccc(CN4CCN(C)CC4)cc3)cc12
InChIInChI=1S/C23H32N6/c1-4-10-29(5-2)23-20-15-21(26-22(20)24-17-25-23)19-8-6-18(7-9-19)16-28-13-11-27(3)12-14-28/h6-9,15,17H,4-5,10-14,16H2,1-3H3,(H,24,25,26)
InChIKeyDOYSDXUVIVEKBQ-UHFFFAOYSA-N
XLogP3.61
TPSA51.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-ethyl-6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-N-propyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-benzyl-N-(1,3-dioxol-4-yl)-6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 69179831
3-[6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]butan-1-amine
CID 68898428
N-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-N-(oxan-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 171513463
N-[(3-chlorophenyl)methyl]-N-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 171513327
4-[[4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]methyl]piperazine-1-carboxylic acid
CID 175073157
6-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-N-[(3-methylphenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 10297042
N-(2-dimethylphosphanylphenyl)-2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 164564134
2-[4-[[4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methyl]piperazin-1-yl]ethanol
CID 59756713
6-[4-[(3,5-dimethylpiperazin-1-yl)methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 69313848
N-(1-phenylethyl)-6-[4-(pyrrolidin-1-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 174456325
N-(1-phenylethyl)-6-[4-(piperazin-1-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 69232929
6-[4-(morpholin-4-ylmethyl)phenyl]-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 85331374

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-N-propyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-ethyl-6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-N-propyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 11223091) is N-ethyl-6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-N-propyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-N-propyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-N-propyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CCCN(CC)c1ncnc2[nH]c(-c3ccc(CN4CCN(C)CC4)cc3)cc12.
What is the InChIKey of N-ethyl-6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-N-propyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is DOYSDXUVIVEKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6/c1-4-10-29(5-2)23-20-15-21(26-22(20)24-17-25-23)19-8-6-18(7-9-19)16-28-13-11-27(3)12-14-28/h6-9,15,17H,4-5,10-14,16H2,1-3H3,(H,24,25,26).
What are the key properties of N-ethyl-6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-N-propyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-ethyl-6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-N-propyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 392.55 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-N-propyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 11223091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).